#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jwa n GLU 3 N 0.00 -0.93 -3.21 0.00 2.13 -1.26 -5.00 120.64 112.37 1jwa n GLU 3 Ca 0.00 1.11 -0.36 0.00 0.66 0.00 0.00 57.16 58.56 1jwa n GLU 3 Cb 0.00 -2.08 -0.06 0.00 0.27 0.00 0.00 31.44 29.57 1jwa n GLU 3 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1jwa s LEU 4 N -0.36 4.37 0.97 4.31 1.43 -1.26 -5.08 118.68 123.06 1jwa s LEU 4 Ca -0.01 1.28 -0.16 0.00 -1.03 0.00 0.00 54.13 54.21 1jwa s LEU 4 Cb 0.00 -3.38 0.21 0.00 0.03 0.00 0.00 46.19 43.05 1jwa s LEU 4 CO 0.20 0.09 1.33 -0.94 0.23 0.00 0.00 176.35 177.25 1jwa s SER 5 N -1.60 2.97 0.35 2.29 1.04 -1.26 -4.82 113.70 112.67 1jwa s SER 5 Ca 0.39 0.15 0.11 0.00 0.48 0.00 0.00 55.95 57.08 1jwa s SER 5 Cb -0.17 -0.14 0.65 0.00 0.10 0.00 0.00 66.02 66.47 1jwa s SER 5 CO 0.20 -2.81 1.79 0.44 0.98 0.00 0.00 173.24 173.84 1jwa h ASP 6 N -1.67 0.06 0.34 7.02 3.32 -1.98 -0.76 116.42 122.75 1jwa h ASP 6 Ca -0.44 -0.02 -0.32 0.00 0.02 0.00 0.00 57.03 56.27 1jwa h ASP 6 Cb 1.22 -0.02 0.03 0.00 0.22 0.00 0.00 39.33 40.79 1jwa h ASP 6 CO 0.34 0.44 -1.43 0.06 -1.72 0.00 0.00 179.24 176.93 1jwa h GLN 7 N 0.05 0.49 -0.17 3.56 -0.00 -2.00 -2.72 115.11 114.33 1jwa h GLN 7 Ca 0.00 -0.83 -0.02 0.00 -0.00 0.00 0.00 58.65 57.80 1jwa h GLN 7 Cb 0.70 0.31 -0.01 0.00 -0.00 0.00 0.00 27.48 28.48 1jwa h GLN 7 CO 0.05 1.40 0.04 0.93 -0.00 0.00 0.00 178.83 181.25 1jwa h GLU 8 N 0.14 0.27 -0.07 0.06 5.08 -1.89 -1.55 114.58 116.62 1jwa h GLU 8 Ca -0.23 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.09 1jwa h GLU 8 Cb 2.13 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 31.34 1jwa h GLU 8 CO 0.26 0.41 0.15 0.52 -1.00 0.00 0.00 179.01 179.35 1jwa h MET 9 N 0.08 0.00 0.08 2.33 2.86 -1.16 0.18 114.93 119.30 1jwa h MET 9 Ca 0.05 0.00 -0.30 0.00 -2.06 0.00 0.00 59.70 57.39 1jwa h MET 9 Cb 0.27 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.91 1jwa h MET 9 CO 0.00 0.00 -1.64 -0.07 1.06 0.00 0.00 176.91 176.26 1jwa h LEU 10 N 0.00 0.27 -1.08 1.22 3.38 -1.11 -3.23 115.31 114.77 1jwa h LEU 10 Ca 0.03 -0.79 -0.04 0.00 0.09 0.00 0.00 57.88 57.18 1jwa h LEU 10 Cb 0.33 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 1jwa h LEU 10 CO -0.00 1.69 0.23 -0.09 0.09 0.00 0.00 178.44 180.36 1jwa h ARG 11 N -0.36 0.89 -0.06 1.13 2.43 -0.54 -2.77 114.38 115.10 1jwa h ARG 11 Ca -0.38 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 58.65 1jwa h ARG 11 Cb 1.74 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 31.14 1jwa h ARG 11 CO -0.02 0.73 0.00 0.66 -1.51 0.00 0.00 179.97 179.84 1jwa n TYR 12 N -4.31 0.07 -0.36 2.20 0.53 0.55 -4.63 117.16 111.21 1jwa n TYR 12 Ca 0.05 -0.03 -0.10 0.00 -1.02 0.00 0.00 57.90 56.80 1jwa n TYR 12 Cb 0.18 0.00 -0.09 0.00 -1.03 0.00 0.00 39.34 38.40 1jwa n TYR 12 CO 0.00 0.00 0.00 -1.71 -1.02 0.00 0.00 176.86 174.13 1jwa n ASN 13 N 0.28 -0.92 0.15 7.72 2.85 -1.05 -0.69 115.26 123.60 1jwa n ASN 13 Ca 0.18 1.57 0.08 0.00 -0.11 0.00 0.00 54.58 56.30 1jwa n ASN 13 Cb 0.36 -0.21 0.42 0.00 1.24 0.00 0.00 39.78 41.59 1jwa n ASN 13 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1jwa n ARG 14 N -5.04 0.10 -0.12 1.20 5.12 -1.26 -0.49 116.66 116.17 1jwa n ARG 14 Ca 0.02 0.58 -0.26 0.00 -1.93 0.00 0.00 57.85 56.26 1jwa n ARG 14 Cb 0.23 -2.00 -0.11 0.00 -1.16 0.00 0.00 32.46 29.41 1jwa n ARG 14 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1jwa n GLN 15 N -2.08 0.60 -0.31 5.56 6.02 0.13 -4.41 117.38 122.88 1jwa n GLN 15 Ca -0.01 0.37 0.10 0.00 -0.01 0.00 0.00 57.00 57.45 1jwa n GLN 15 Cb 0.19 -1.60 0.32 0.00 1.02 0.00 0.00 30.24 30.16 1jwa n GLN 15 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 1jwa h ILE 16 N -0.86 0.86 0.00 5.09 2.04 0.10 -1.39 117.51 123.36 1jwa h ILE 16 Ca -0.55 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.03 1jwa h ILE 16 Cb 1.55 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 37.59 1jwa h ILE 16 CO -0.29 0.15 0.00 2.30 0.00 0.00 0.00 178.15 180.31 1jwa n ILE 17 N -4.60 0.00 -2.43 -0.67 -5.35 -0.39 -2.17 119.36 103.76 1jwa n ILE 17 Ca 0.18 0.00 -0.42 0.00 -0.27 0.00 0.00 62.75 62.24 1jwa n ILE 17 Cb 0.42 -0.52 -0.03 0.00 -1.74 0.00 0.00 39.64 37.78 1jwa n ILE 17 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1jwa s LEU 18 N -1.87 4.28 0.18 7.28 1.43 -0.52 -4.92 118.68 124.53 1jwa s LEU 18 Ca 0.35 1.85 -0.33 0.00 -1.03 0.00 0.00 54.13 54.97 1jwa s LEU 18 Cb 0.16 -3.56 -0.13 0.00 0.03 0.00 0.00 46.19 42.70 1jwa s LEU 18 CO 0.27 -0.60 1.67 -2.11 0.23 0.00 0.00 176.35 175.81 1jwa n ARG 19 N 5.24 2.49 0.00 1.70 0.00 -1.26 -0.97 116.66 123.85 1jwa n ARG 19 Ca 0.11 0.90 0.00 0.00 -0.00 0.00 0.00 57.85 58.86 1jwa n ARG 19 Cb 0.46 -2.71 0.00 0.00 -0.00 0.00 0.00 32.46 30.20 1jwa n ARG 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1jwa n GLY 20 N 3.75 2.61 0.00 2.89 0.00 -1.26 -4.87 105.19 108.32 1jwa n GLY 20 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1jwa n GLY 20 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1jwa n PHE 21 N -2.00 0.00 -1.68 1.61 7.35 -0.15 -4.88 117.46 117.71 1jwa n PHE 21 Ca 0.00 0.00 0.14 0.00 -0.76 0.00 0.00 57.45 56.83 1jwa n PHE 21 Cb 0.00 -0.03 -0.04 0.00 0.35 0.00 0.00 39.48 39.76 1jwa n PHE 21 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1jwa n ASP 22 N -2.36 -6.90 -0.35 -2.13 2.03 -0.92 -1.77 116.55 104.14 1jwa n ASP 22 Ca 0.00 1.11 0.23 0.00 0.52 0.00 0.00 54.79 56.65 1jwa n ASP 22 Cb 0.00 -3.19 0.49 0.00 -0.72 0.00 0.00 41.12 37.70 1jwa n ASP 22 CO 0.00 0.00 0.00 -0.26 -1.92 0.00 0.00 177.20 175.02 1jwa h PHE 23 N -0.96 0.78 -0.41 -0.67 -1.00 -1.95 -0.66 116.94 112.08 1jwa h PHE 23 Ca 0.02 0.03 0.07 0.00 2.81 0.00 0.00 57.97 60.90 1jwa h PHE 23 Cb 0.94 -0.22 -0.06 0.00 3.61 0.00 0.00 35.95 40.22 1jwa h PHE 23 CO 0.00 -0.01 0.07 -0.44 -1.61 0.00 0.00 178.31 176.32 1jwa h ASP 24 N 0.39 -0.02 0.09 2.17 5.19 -1.96 -1.23 116.42 121.05 1jwa h ASP 24 Ca 0.66 0.07 -0.00 0.00 -0.62 0.00 0.00 57.03 57.14 1jwa h ASP 24 Cb 1.60 0.11 0.00 0.00 0.18 0.00 0.00 39.33 41.21 1jwa h ASP 24 CO -0.41 0.03 -0.04 1.23 -3.12 0.00 0.00 179.24 176.92 1jwa h GLY 25 N 0.20 -0.12 1.81 2.75 0.00 -0.28 -1.95 103.07 105.48 1jwa h GLY 25 Ca 0.20 0.05 0.02 0.00 0.00 0.00 0.00 47.33 47.60 1jwa h GLY 25 CO -0.28 -0.05 0.07 -1.61 0.00 0.00 0.00 176.54 174.68 1jwa h GLN 26 N -0.26 0.00 0.05 4.80 5.75 -1.38 -0.46 115.11 123.62 1jwa h GLN 26 Ca -0.01 0.00 -0.24 0.00 -0.15 0.00 0.00 58.65 58.25 1jwa h GLN 26 Cb 0.22 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.75 1jwa h GLN 26 CO 0.02 0.00 -1.10 0.93 -2.65 0.00 0.00 178.83 176.03 1jwa h GLU 27 N 0.00 0.11 -0.17 1.69 5.08 -0.75 -3.01 114.58 117.54 1jwa h GLU 27 Ca 0.03 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.19 1jwa h GLU 27 Cb 0.18 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1jwa h GLU 27 CO -0.00 1.09 0.09 0.00 -1.00 0.00 0.00 179.01 179.19 1jwa h ALA 28 N 0.82 0.22 -0.42 3.43 0.00 -0.36 -2.28 119.26 120.68 1jwa h ALA 28 Ca -0.06 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 54.84 1jwa h ALA 28 Cb 1.85 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 19.51 1jwa h ALA 28 CO 0.16 -0.22 0.06 -0.07 0.00 0.00 0.00 179.25 179.18 1jwa h LEU 29 N 0.16 -0.04 -1.29 0.00 4.07 -1.38 -1.28 115.31 115.55 1jwa h LEU 29 Ca 0.06 0.08 0.02 0.00 0.08 0.00 0.00 57.88 58.12 1jwa h LEU 29 Cb 0.11 0.12 -0.04 0.00 1.08 0.00 0.00 40.66 41.93 1jwa h LEU 29 CO -0.01 0.01 0.49 0.50 -1.08 0.00 0.00 178.44 178.35 1jwa h LYS 30 N 0.18 0.93 -0.01 1.13 3.64 -1.38 -1.48 116.57 119.59 1jwa h LYS 30 Ca 0.21 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1jwa h LYS 30 Cb 0.27 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1jwa h LYS 30 CO -0.29 0.61 0.00 -0.25 -2.27 0.00 0.00 179.45 177.25 1jwa n ASP 31 N -4.44 0.19 -4.87 4.20 8.00 -0.54 -3.38 116.55 115.70 1jwa n ASP 31 Ca 0.09 -1.13 -0.31 0.00 0.71 0.00 0.00 54.79 54.14 1jwa n ASP 31 Cb 0.08 -0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.13 1jwa n ASP 31 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1jwa s SER 32 N -1.92 6.63 -0.35 -2.24 0.01 -0.63 -4.97 113.70 110.23 1jwa s SER 32 Ca 0.43 1.14 0.01 0.00 1.31 0.00 0.00 55.95 58.85 1jwa s SER 32 Cb 0.20 -2.32 0.11 0.00 0.21 0.00 0.00 66.02 64.22 1jwa s SER 32 CO 0.34 -0.27 0.12 -0.13 0.41 0.00 0.00 173.24 173.71 1jwa s ARG 33 N -3.37 1.01 -0.02 12.44 0.52 -1.26 -2.06 118.95 126.21 1jwa s ARG 33 Ca 0.52 -1.47 -0.03 0.00 -0.52 0.00 0.00 55.73 54.23 1jwa s ARG 33 Cb -0.10 -2.33 -0.04 0.00 0.52 0.00 0.00 34.95 33.00 1jwa s ARG 33 CO 0.24 -1.02 0.15 0.08 0.02 0.00 0.00 175.30 174.77 1jwa s VAL 34 N 1.16 5.22 -0.18 3.52 1.01 -0.80 -1.28 120.40 129.06 1jwa s VAL 34 Ca 0.12 -0.18 0.01 0.00 0.00 0.00 0.00 61.98 61.92 1jwa s VAL 34 Cb -0.19 -3.40 0.01 0.00 0.00 0.00 0.00 36.38 32.80 1jwa s VAL 34 CO -0.16 0.37 -0.18 -0.22 0.00 0.00 0.00 175.10 174.92 1jwa s LEU 35 N -1.75 2.25 -0.25 3.92 2.96 -0.75 -2.36 118.68 122.70 1jwa s LEU 35 Ca 0.24 -0.60 -0.08 0.00 -0.22 0.00 0.00 54.13 53.48 1jwa s LEU 35 Cb -0.12 -1.51 -0.03 0.00 0.50 0.00 0.00 46.19 45.02 1jwa s LEU 35 CO 0.15 0.02 0.08 -0.63 -1.32 0.00 0.00 176.35 174.65 1jwa s ILE 36 N 1.21 4.42 -0.41 6.68 1.01 -0.71 0.40 121.20 133.79 1jwa s ILE 36 Ca 0.03 -0.14 -0.10 0.00 0.00 0.00 0.00 60.65 60.44 1jwa s ILE 36 Cb -0.14 -3.07 0.07 0.00 0.01 0.00 0.00 42.46 39.34 1jwa s ILE 36 CO -0.09 0.33 0.25 -0.69 0.00 0.00 0.00 174.94 174.74 1jwa s VAL 37 N 1.61 4.31 0.00 2.92 1.01 -0.24 -2.08 120.40 127.93 1jwa s VAL 37 Ca 0.06 -1.31 0.00 0.00 0.00 0.00 0.00 61.98 60.73 1jwa s VAL 37 Cb -0.15 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.63 1jwa s VAL 37 CO 0.04 -0.47 0.00 0.61 0.00 0.00 0.00 175.10 175.29 1jwa n GLY 38 N 4.94 0.87 2.30 4.51 0.00 -0.25 -0.72 105.19 116.83 1jwa n GLY 38 Ca -0.10 -0.66 -0.22 0.00 0.00 0.00 0.00 46.02 45.04 1jwa n GLY 38 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jwa n LEU 39 N 0.00 6.23 0.00 0.99 7.99 -1.26 -2.60 117.00 128.35 1jwa n LEU 39 Ca 0.00 -3.76 0.00 0.00 -0.01 0.00 0.00 56.01 52.24 1jwa n LEU 39 Cb 0.00 -1.24 0.00 0.00 -0.11 0.00 0.00 43.42 42.07 1jwa n LEU 39 CO 0.00 1.64 0.00 0.61 -1.51 0.00 0.00 177.39 178.13 1jwa n GLY 40 N 1.10 1.43 0.41 -0.72 0.00 -1.26 -4.49 105.19 101.66 1jwa n GLY 40 Ca 0.44 -1.17 -0.13 0.00 0.00 0.00 0.00 46.02 45.16 1jwa n GLY 40 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1jwa h GLY 41 N 0.00 -0.78 0.53 -0.02 0.00 -1.90 -1.29 103.07 99.61 1jwa h GLY 41 Ca 0.00 0.53 -0.12 0.00 0.00 0.00 0.00 47.33 47.73 1jwa h GLY 41 CO 0.00 -0.24 -0.52 1.41 0.00 0.00 0.00 176.54 177.19 1jwa h LEU 42 N -0.55 0.35 -1.45 3.11 3.38 -1.85 -3.10 115.31 115.20 1jwa h LEU 42 Ca 0.05 -0.90 0.24 0.00 0.09 0.00 0.00 57.88 57.37 1jwa h LEU 42 Cb 0.65 -0.11 -0.08 0.00 0.09 0.00 0.00 40.66 41.21 1jwa h LEU 42 CO -0.35 1.21 0.65 1.23 0.09 0.00 0.00 178.44 181.27 1jwa h GLY 43 N -0.47 1.01 1.09 0.83 0.00 -1.50 0.51 103.07 104.54 1jwa h GLY 43 Ca -0.08 -0.19 -0.17 0.00 0.00 0.00 0.00 47.33 46.89 1jwa h GLY 43 CO 0.10 -0.07 -0.49 0.00 0.00 0.00 0.00 176.54 176.08 1jwa h ALA 45 N 0.67 0.60 -0.01 0.00 0.00 -0.86 -3.10 119.26 116.55 1jwa h ALA 45 Ca 0.02 -0.32 -0.24 0.00 0.00 0.00 0.00 54.91 54.37 1jwa h ALA 45 Cb 1.10 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.74 1jwa h ALA 45 CO 0.11 0.46 -0.97 0.00 0.00 0.00 0.00 179.25 178.85 1jwa h ALA 46 N 0.87 0.27 -0.10 0.00 0.00 -1.32 -3.30 119.26 115.67 1jwa h ALA 46 Ca 0.11 -0.70 -0.14 0.00 0.00 0.00 0.00 54.91 54.19 1jwa h ALA 46 Cb 0.61 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1jwa h ALA 46 CO 0.04 0.75 -0.55 0.66 0.00 0.00 0.00 179.25 180.15 1jwa h SER 47 N 0.32 0.34 -0.56 0.00 4.64 -1.43 -2.60 113.55 114.25 1jwa h SER 47 Ca -0.10 -0.18 0.11 0.00 -0.47 0.00 0.00 61.79 61.16 1jwa h SER 47 Cb 1.61 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 63.57 1jwa h SER 47 CO 0.18 0.82 0.38 0.06 -0.87 0.00 0.00 176.83 177.40 1jwa h GLN 48 N 0.23 0.25 0.00 4.77 3.07 -1.62 -1.13 115.11 120.69 1jwa h GLN 48 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 58.65 58.73 1jwa h GLN 48 Cb 1.04 -0.06 0.00 0.00 0.08 0.00 0.00 27.48 28.54 1jwa h GLN 48 CO 0.09 0.17 -1.47 0.66 0.09 0.00 0.00 178.83 178.36 1jwa n TYR 49 N -4.45 0.26 0.14 0.06 4.02 -1.12 -2.83 117.16 113.24 1jwa n TYR 49 Ca 0.10 0.08 -0.00 0.00 -0.01 0.00 0.00 57.90 58.06 1jwa n TYR 49 Cb 0.44 -0.53 0.14 0.00 -0.02 0.00 0.00 39.34 39.37 1jwa n TYR 49 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 1jwa h LEU 50 N 0.00 0.00 0.01 7.72 3.38 -0.98 -2.55 115.31 122.88 1jwa h LEU 50 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1jwa h LEU 50 Cb 0.89 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.64 1jwa h LEU 50 CO 0.00 0.61 -0.10 0.00 0.09 0.00 0.00 178.44 179.04 1jwa h ALA 51 N 1.39 0.00 -0.09 1.53 0.00 -1.32 -1.76 119.26 119.01 1jwa h ALA 51 Ca -0.01 -0.46 -0.10 0.00 0.00 0.00 0.00 54.91 54.34 1jwa h ALA 51 Cb 1.20 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1jwa h ALA 51 CO 0.08 0.00 -0.40 0.66 0.00 0.00 0.00 179.25 179.59 1jwa h SER 52 N -0.78 0.21 0.41 0.00 4.64 -1.62 -2.69 113.55 113.73 1jwa h SER 52 Ca -0.02 -0.08 -0.13 0.00 -0.47 0.00 0.00 61.79 61.09 1jwa h SER 52 Cb 0.96 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.98 1jwa h SER 52 CO 0.02 0.59 -0.57 0.00 -0.87 0.00 0.00 176.83 175.99 1jwa h ALA 53 N 1.42 0.94 0.00 5.18 0.00 -1.54 -3.48 119.26 121.77 1jwa h ALA 53 Ca 0.02 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1jwa h ALA 53 Cb 0.78 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1jwa h ALA 53 CO 0.06 0.71 0.00 0.41 0.00 0.00 0.00 179.25 180.43 1jwa n GLY 54 N 0.17 1.87 3.62 0.00 0.00 -1.01 -5.00 105.19 104.84 1jwa n GLY 54 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 1jwa n GLY 54 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jwa s VAL 55 N -1.93 3.68 0.46 1.61 1.01 -0.68 -3.42 120.40 121.13 1jwa s VAL 55 Ca 0.00 0.76 0.18 0.00 0.00 0.00 0.00 61.98 62.92 1jwa s VAL 55 Cb 0.00 -3.73 0.37 0.00 0.00 0.00 0.00 36.38 33.01 1jwa s VAL 55 CO 0.00 -0.34 1.94 1.23 0.00 0.00 0.00 175.10 177.93 1jwa h GLY 56 N 11.98 0.50 -6.76 4.51 0.00 -1.38 -3.42 103.07 108.50 1jwa h GLY 56 Ca -0.33 -0.13 -0.43 0.00 0.00 0.00 0.00 47.33 46.44 1jwa h GLY 56 CO 1.01 0.05 -0.77 -1.31 0.00 0.00 0.00 176.54 175.52 1jwa s ASN 57 N -6.02 1.38 0.03 0.19 0.01 -0.88 -0.03 114.94 109.62 1jwa s ASN 57 Ca -0.07 -0.10 0.05 0.00 -0.71 0.00 0.00 52.86 52.03 1jwa s ASN 57 Cb 0.21 -0.45 -0.02 0.00 0.41 0.00 0.00 41.25 41.40 1jwa s ASN 57 CO 0.76 -0.15 -0.15 -0.76 -1.51 0.00 0.00 177.10 175.29 1jwa s LEU 58 N 1.62 2.15 -0.14 0.60 1.43 -0.37 -1.90 118.68 122.07 1jwa s LEU 58 Ca -0.00 -0.43 -0.00 0.00 -1.03 0.00 0.00 54.13 52.67 1jwa s LEU 58 Cb -0.13 -0.66 0.03 0.00 0.03 0.00 0.00 46.19 45.46 1jwa s LEU 58 CO -0.04 0.07 -0.10 -0.89 0.23 0.00 0.00 176.35 175.62 1jwa s THR 59 N -0.76 1.28 -0.20 5.49 2.01 -1.00 -1.10 115.64 121.37 1jwa s THR 59 Ca 0.03 -0.50 -0.18 0.00 0.31 0.00 0.00 61.69 61.35 1jwa s THR 59 Cb -0.07 -1.28 -0.03 0.00 0.01 0.00 0.00 72.50 71.13 1jwa s THR 59 CO 0.01 0.37 0.48 -0.76 -0.69 0.00 0.00 174.62 174.03 1jwa s LEU 60 N 1.60 4.15 -0.25 4.42 1.43 -0.26 -1.74 118.68 128.02 1jwa s LEU 60 Ca 0.04 0.63 0.00 0.00 -1.03 0.00 0.00 54.13 53.78 1jwa s LEU 60 Cb -0.13 -2.65 0.07 0.00 0.03 0.00 0.00 46.19 43.51 1jwa s LEU 60 CO -0.09 -0.15 -0.01 -0.22 0.23 0.00 0.00 176.35 176.11 1jwa s LEU 61 N 1.52 2.59 -0.14 1.79 2.96 -0.88 0.13 118.68 126.65 1jwa s LEU 61 Ca 0.23 -1.31 -0.29 0.00 -0.22 0.00 0.00 54.13 52.54 1jwa s LEU 61 Cb -0.15 -1.11 0.08 0.00 0.50 0.00 0.00 46.19 45.50 1jwa s LEU 61 CO 0.09 -0.29 0.73 -0.62 -1.32 0.00 0.00 176.35 174.95 1jwa s ASP 62 N 1.43 -0.66 0.00 3.68 -1.08 -1.21 -1.09 116.67 117.74 1jwa s ASP 62 Ca -0.01 0.94 0.17 0.00 -0.52 0.00 0.00 52.55 53.12 1jwa s ASP 62 Cb -0.18 0.83 -0.15 0.00 -1.46 0.00 0.00 42.92 41.95 1jwa s ASP 62 CO -0.10 -0.46 0.73 2.22 0.52 0.00 0.00 175.17 178.09 1jwa n PHE 63 N 1.52 0.00 -2.09 -5.34 1.16 -1.11 -2.79 117.46 108.81 1jwa n PHE 63 Ca -0.17 0.00 -0.28 0.00 -1.87 0.00 0.00 57.45 55.14 1jwa n PHE 63 Cb 0.56 0.00 0.14 0.00 -1.61 0.00 0.00 39.48 38.57 1jwa n PHE 63 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 1jwa s ASP 64 N -2.48 3.78 0.30 5.98 2.15 -1.26 -4.76 116.67 120.39 1jwa s ASP 64 Ca 0.07 0.25 0.11 0.00 0.43 0.00 0.00 52.55 53.41 1jwa s ASP 64 Cb 0.13 -0.50 -0.06 0.00 -0.30 0.00 0.00 42.92 42.19 1jwa s ASP 64 CO 0.64 -2.29 -0.15 0.42 -0.17 0.00 0.00 175.17 173.62 1jwa s THR 65 N -3.62 2.32 0.50 1.71 -4.23 -1.26 -1.88 115.64 109.18 1jwa s THR 65 Ca 0.69 -2.31 -0.20 0.00 -1.18 0.00 0.00 61.69 58.69 1jwa s THR 65 Cb -0.06 -2.44 -0.08 0.00 1.34 0.00 0.00 72.50 71.26 1jwa s THR 65 CO 0.50 -0.32 1.04 -0.69 -0.54 0.00 0.00 174.62 174.61 1jwa s VAL 66 N -2.59 3.77 0.17 2.29 1.01 -0.20 -4.75 120.40 120.10 1jwa s VAL 66 Ca 0.31 1.07 -0.10 0.00 0.00 0.00 0.00 61.98 63.25 1jwa s VAL 66 Cb -0.01 -3.44 -0.00 0.00 0.00 0.00 0.00 36.38 32.93 1jwa s VAL 66 CO 0.15 -0.27 0.31 -0.94 0.00 0.00 0.00 175.10 174.36 1jwa s SER 67 N -2.07 0.00 0.03 3.32 1.04 -1.26 -0.90 113.70 113.86 1jwa s SER 67 Ca 0.67 -0.81 -0.10 0.00 0.48 0.00 0.00 55.95 56.19 1jwa s SER 67 Cb -0.17 0.45 -0.04 0.00 0.10 0.00 0.00 66.02 66.36 1jwa s SER 67 CO 0.22 -0.91 1.16 0.25 0.98 0.00 0.00 173.24 174.94 1jwa h LEU 68 N 2.50 -0.43 -0.86 2.42 5.85 -1.97 -2.53 115.31 120.29 1jwa h LEU 68 Ca -0.31 0.04 0.32 0.00 0.84 0.00 0.00 57.88 58.77 1jwa h LEU 68 Cb 1.23 0.15 -0.16 0.00 0.37 0.00 0.00 40.66 42.26 1jwa h LEU 68 CO 0.47 -0.17 0.33 -0.24 -0.34 0.00 0.00 178.44 178.49 1jwa n SER 69 N -3.26 0.18 0.32 1.25 2.88 -1.26 0.71 113.62 114.45 1jwa n SER 69 Ca -0.03 1.43 0.20 0.00 -1.33 0.00 0.00 58.87 59.15 1jwa n SER 69 Cb 0.12 -0.65 1.11 0.00 -0.75 0.00 0.00 64.21 64.05 1jwa n SER 69 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 1jwa h ASN 70 N 0.00 0.00 0.00 -3.46 -0.26 -1.88 -2.81 115.58 107.17 1jwa h ASN 70 Ca 0.67 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.41 1jwa h ASN 70 Cb 1.68 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.94 1jwa h ASN 70 CO -0.70 0.00 0.00 0.18 -1.06 0.00 0.00 177.43 175.85 1jwa n LEU 71 N -3.36 0.00 0.02 1.61 4.77 0.22 -0.66 117.00 119.61 1jwa n LEU 71 Ca -0.03 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.07 1jwa n LEU 71 Cb 0.08 0.00 0.15 0.00 -2.33 0.00 0.00 43.42 41.32 1jwa n LEU 71 CO 0.23 0.00 0.28 1.67 -1.33 0.00 0.00 177.39 178.24 1jwa n GLN 72 N -0.56 0.14 0.00 3.23 0.00 -1.06 -4.67 117.38 114.46 1jwa n GLN 72 Ca 0.03 0.02 0.00 0.00 -0.00 0.00 0.00 57.00 57.05 1jwa n GLN 72 Cb 0.01 -1.57 0.00 0.00 0.00 0.00 0.00 30.24 28.69 1jwa n GLN 72 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.06 179.95 1jwa n ARG 73 N -1.75 1.35 -2.88 3.69 1.85 -1.06 -4.65 116.66 113.21 1jwa n ARG 73 Ca 0.04 0.00 -0.44 0.00 -1.00 0.00 0.00 57.85 56.45 1jwa n ARG 73 Cb 0.38 -0.26 -0.02 0.00 -1.05 0.00 0.00 32.46 31.52 1jwa n ARG 73 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 1jwa s GLN 74 N -0.57 3.79 0.55 2.89 -0.21 0.17 -4.86 119.66 121.42 1jwa s GLN 74 Ca 0.00 -2.00 0.22 0.00 0.02 0.00 0.00 55.36 53.60 1jwa s GLN 74 Cb 0.00 -5.05 1.48 0.00 1.00 0.00 0.00 33.01 30.45 1jwa s GLN 74 CO 0.00 -1.84 2.17 1.79 -2.12 0.00 0.00 175.29 175.28 1jwa h THR 75 N 5.51 0.79 0.00 -0.19 1.35 -1.92 -2.76 112.91 115.70 1jwa h THR 75 Ca 0.23 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 66.07 1jwa h THR 75 Cb 0.96 0.97 -0.00 0.00 -1.73 0.00 0.00 68.15 68.34 1jwa h THR 75 CO 1.21 0.00 -0.11 -0.07 -0.25 0.00 0.00 175.52 176.30 1jwa h LEU 76 N 0.00 0.00-10.42 3.87 3.38 -1.89 -3.44 115.31 106.81 1jwa h LEU 76 Ca 0.03 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.56 1jwa h LEU 76 Cb 0.12 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.90 1jwa h LEU 76 CO -0.00 0.11 -0.17 -1.00 0.09 0.00 0.00 178.44 177.47 1jwa s HIS 77 N -4.29 2.96 0.21 1.13 3.76 -1.04 -4.67 115.29 113.35 1jwa s HIS 77 Ca -0.03 -0.12 -0.14 0.00 -0.15 0.00 0.00 55.06 54.62 1jwa s HIS 77 Cb 0.14 -2.42 0.01 0.00 1.11 0.00 0.00 32.58 31.41 1jwa s HIS 77 CO 0.59 -0.49 0.46 -1.54 -0.85 0.00 0.00 174.74 172.91 1jwa s SER 78 N -4.32 -0.13 0.23 1.40 1.04 -1.26 -5.00 113.70 105.67 1jwa s SER 78 Ca 0.53 -0.74 -0.06 0.00 0.48 0.00 0.00 55.95 56.16 1jwa s SER 78 Cb -0.10 0.55 0.37 0.00 0.10 0.00 0.00 66.02 66.95 1jwa s SER 78 CO 0.35 -1.06 1.78 0.44 0.98 0.00 0.00 173.24 175.74 1jwa h ASP 79 N 2.29 0.51 0.11 7.02 5.19 -1.98 0.10 116.42 129.66 1jwa h ASP 79 Ca -0.28 0.06 -0.00 0.00 -0.62 0.00 0.00 57.03 56.19 1jwa h ASP 79 Cb 1.25 -0.03 -0.00 0.00 0.18 0.00 0.00 39.33 40.73 1jwa h ASP 79 CO 0.39 0.28 -0.02 0.00 -3.12 0.00 0.00 179.24 176.77 1jwa h ALA 80 N 1.45 1.26 -0.24 3.45 0.00 -2.04 -2.47 119.26 120.67 1jwa h ALA 80 Ca 0.37 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1jwa h ALA 80 Cb 0.40 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1jwa h ALA 80 CO -0.28 0.02 0.00 0.25 0.00 0.00 0.00 179.25 179.25 1jwa n THR 81 N -3.49 0.30 -1.67 0.00 -2.24 0.32 -4.96 114.28 102.54 1jwa n THR 81 Ca -0.03 -0.63 -0.45 0.00 -2.27 0.00 0.00 64.05 60.67 1jwa n THR 81 Cb 0.11 1.14 -0.04 0.00 -2.10 0.00 0.00 70.33 69.44 1jwa n THR 81 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1jwa n VAL 82 N 1.38 0.17 0.00 2.28 0.31 -0.93 -1.09 118.33 120.44 1jwa n VAL 82 Ca 0.17 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.46 1jwa n VAL 82 Cb 0.59 -1.56 0.00 0.00 -0.91 0.00 0.00 33.84 31.96 1jwa n VAL 82 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1jwa n GLY 83 N 3.21 3.08 3.71 2.92 0.00 -0.08 -4.94 105.19 113.09 1jwa n GLY 83 Ca 0.16 -0.87 -0.34 0.00 0.00 0.00 0.00 46.02 44.96 1jwa n GLY 83 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1jwa s GLN 84 N 0.00 1.94 0.59 1.61 0.74 -0.25 -4.44 119.66 119.85 1jwa s GLN 84 Ca 0.00 1.78 -0.17 0.00 0.05 0.00 0.00 55.36 57.02 1jwa s GLN 84 Cb 0.00 -1.81 -0.04 0.00 1.10 0.00 0.00 33.01 32.27 1jwa s GLN 84 CO 0.00 -1.99 1.10 -1.25 -0.55 0.00 0.00 175.29 172.60 1jwa s PRO 85 N -3.98 3.19 0.27 1.67 0.04 -1.26 -1.03 135.00 133.89 1jwa s PRO 85 Ca 0.74 1.43 0.00 0.00 0.04 0.00 0.00 61.00 63.22 1jwa s PRO 85 Cb -0.30 -2.00 0.36 0.00 0.04 0.00 0.00 34.50 32.61 1jwa s PRO 85 CO 0.47 -0.95 1.72 0.87 0.04 0.00 0.00 177.00 179.16 1jwa h LYS 86 N 0.67 0.61 -0.50 4.56 1.57 -1.67 -2.42 116.57 119.40 1jwa h LYS 86 Ca -0.48 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.08 1jwa h LYS 86 Cb 1.24 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.48 1jwa h LYS 86 CO 0.56 0.75 0.26 -0.39 -0.57 0.00 0.00 179.45 180.07 1jwa h VAL 87 N 0.55 1.16 0.09 0.50 -1.51 -1.83 -1.79 116.25 113.43 1jwa h VAL 87 Ca 0.09 -0.41 -0.14 0.00 -1.23 0.00 0.00 66.70 65.01 1jwa h VAL 87 Cb 0.61 0.50 0.02 0.00 -2.13 0.00 0.00 31.29 30.28 1jwa h VAL 87 CO 0.04 0.18 -0.61 -0.33 -1.23 0.00 0.00 177.57 175.62 1jwa h GLU 88 N 0.69 0.25 -0.77 5.19 5.08 -1.91 -1.11 114.58 122.00 1jwa h GLU 88 Ca 0.18 -0.39 0.10 0.00 -1.00 0.00 0.00 59.36 58.25 1jwa h GLU 88 Cb 0.03 0.14 -0.07 0.00 0.50 0.00 0.00 28.75 29.35 1jwa h GLU 88 CO -0.03 1.17 0.41 1.03 -1.00 0.00 0.00 179.01 180.58 1jwa h SER 89 N -0.47 0.55 -0.13 1.42 0.87 -1.42 -1.79 113.55 112.56 1jwa h SER 89 Ca -0.10 0.06 -0.06 0.00 -1.23 0.00 0.00 61.79 60.45 1jwa h SER 89 Cb 1.45 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 63.37 1jwa h SER 89 CO 0.11 0.30 -0.17 0.00 -0.53 0.00 0.00 176.83 176.55 1jwa h ALA 90 N 1.46 0.20 -0.41 6.23 0.00 -1.39 -2.53 119.26 122.82 1jwa h ALA 90 Ca 0.38 -0.34 0.06 0.00 0.00 0.00 0.00 54.91 55.01 1jwa h ALA 90 Cb 0.40 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 1jwa h ALA 90 CO -0.27 0.11 0.12 -0.09 0.00 0.00 0.00 179.25 179.11 1jwa h ARG 91 N -0.04 0.25 -0.17 0.00 1.12 -0.95 -0.52 114.38 114.08 1jwa h ARG 91 Ca 0.02 -0.02 0.03 0.00 -1.11 0.00 0.00 59.98 58.90 1jwa h ARG 91 Cb 0.72 -0.06 -0.03 0.00 -0.01 0.00 0.00 29.97 30.59 1jwa h ARG 91 CO 0.04 0.17 -0.02 -0.44 -3.11 0.00 0.00 179.97 176.60 1jwa h ASP 92 N 0.26 -0.12 -0.67 -3.80 3.32 -1.29 0.04 116.42 114.17 1jwa h ASP 92 Ca 0.19 0.04 -0.05 0.00 0.02 0.00 0.00 57.03 57.24 1jwa h ASP 92 Cb 0.21 0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.81 1jwa h ASP 92 CO -0.22 -0.04 0.25 0.00 -1.72 0.00 0.00 179.24 177.51 1jwa h ALA 93 N 1.16 1.14 -0.45 3.45 0.00 -1.23 -3.02 119.26 120.30 1jwa h ALA 93 Ca 0.08 -0.19 -0.14 0.00 0.00 0.00 0.00 54.91 54.66 1jwa h ALA 93 Cb 0.11 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1jwa h ALA 93 CO -0.15 0.61 -0.27 -0.07 0.00 0.00 0.00 179.25 179.37 1jwa h LEU 94 N 1.01 1.01 -0.43 0.00 3.38 -0.54 -2.42 115.31 117.32 1jwa h LEU 94 Ca 0.23 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1jwa h LEU 94 Cb 0.23 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1jwa h LEU 94 CO -0.02 1.20 0.00 1.07 0.09 0.00 0.00 178.44 180.79 1jwa n THR 95 N -4.09 0.78 0.06 0.22 5.66 -0.05 -1.66 114.28 115.20 1jwa n THR 95 Ca -0.01 0.14 -0.21 0.00 -3.05 0.00 0.00 64.05 60.92 1jwa n THR 95 Cb 0.49 -1.01 -0.11 0.00 -1.55 0.00 0.00 70.33 68.14 1jwa n THR 95 CO 0.00 0.00 0.00 -0.09 -3.05 0.00 0.00 175.07 171.93 1jwa h ARG 96 N 0.00 0.68 -0.54 1.09 9.65 -1.32 -2.91 114.38 121.03 1jwa h ARG 96 Ca 0.00 -0.79 -0.12 0.00 -1.10 0.00 0.00 59.98 57.97 1jwa h ARG 96 Cb 0.41 0.24 -0.02 0.00 -1.39 0.00 0.00 29.97 29.21 1jwa h ARG 96 CO 0.00 1.35 -0.12 0.82 2.80 0.00 0.00 179.97 184.82 1jwa h ILE 97 N 0.36 1.27 -2.10 1.20 2.04 -0.92 -3.41 117.51 115.94 1jwa h ILE 97 Ca -0.15 -1.28 -0.29 0.00 1.00 0.00 0.00 64.86 64.14 1jwa h ILE 97 Cb 1.78 0.97 -0.32 0.00 -0.74 0.00 0.00 36.82 38.50 1jwa h ILE 97 CO 0.22 0.45 -0.60 0.21 0.00 0.00 0.00 178.15 178.43 1jwa s ASN 98 N -6.65 1.29 0.00 1.72 3.84 -0.66 -4.83 114.94 109.64 1jwa s ASN 98 Ca -0.12 -0.53 0.20 0.00 0.21 0.00 0.00 52.86 52.62 1jwa s ASN 98 Cb 0.13 0.65 1.17 0.00 -0.55 0.00 0.00 41.25 42.65 1jwa s ASN 98 CO 0.87 -0.37 1.64 -0.81 -2.79 0.00 0.00 177.10 175.64 1jwa n PRO 99 N 5.32 0.82 0.06 0.43 -0.04 -1.10 -3.45 135.00 137.05 1jwa n PRO 99 Ca -0.02 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.45 1jwa n PRO 99 Cb 0.48 -1.37 -0.05 0.00 -0.04 0.00 0.00 33.50 32.51 1jwa n PRO 99 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1jwa h HIS 100 N 0.00 0.00 -3.12 0.54 3.86 -1.94 -3.48 115.15 111.02 1jwa h HIS 100 Ca 0.00 0.00 -0.47 0.00 -1.16 0.00 0.00 60.37 58.74 1jwa h HIS 100 Cb 0.00 0.00 0.03 0.00 1.06 0.00 0.00 27.41 28.50 1jwa h HIS 100 CO 0.00 0.50 -0.02 0.96 0.86 0.00 0.00 177.93 180.23 1jwa s ILE 101 N -2.97 4.48 -0.30 2.45 -4.36 -1.22 -5.02 121.20 114.25 1jwa s ILE 101 Ca -0.01 -0.22 -0.09 0.00 -0.26 0.00 0.00 60.65 60.06 1jwa s ILE 101 Cb 0.08 -3.68 -0.01 0.00 1.25 0.00 0.00 42.46 40.11 1jwa s ILE 101 CO 0.79 -0.55 0.14 0.00 0.24 0.00 0.00 174.94 175.56 1jwa s ALA 102 N -2.61 3.24 -0.16 2.27 0.00 0.95 -5.01 121.76 120.44 1jwa s ALA 102 Ca 0.47 -1.38 -0.04 0.00 0.00 0.00 0.00 51.96 51.01 1jwa s ALA 102 Cb -0.10 -2.32 -0.03 0.00 0.00 0.00 0.00 23.12 20.67 1jwa s ALA 102 CO 0.40 -0.87 -0.03 0.42 0.00 0.00 0.00 175.76 175.69 1jwa s ILE 103 N 1.60 3.93 -0.21 0.00 1.01 -1.26 -1.24 121.20 125.03 1jwa s ILE 103 Ca 0.04 -0.34 0.01 0.00 0.00 0.00 0.00 60.65 60.37 1jwa s ILE 103 Cb -0.17 -2.73 0.04 0.00 0.01 0.00 0.00 42.46 39.61 1jwa s ILE 103 CO 0.06 0.48 -0.12 -0.89 0.00 0.00 0.00 174.94 174.47 1jwa s THR 104 N 0.49 1.80 0.16 2.92 2.01 -0.26 -4.99 115.64 117.77 1jwa s THR 104 Ca -0.03 -1.11 -0.13 0.00 0.31 0.00 0.00 61.69 60.73 1jwa s THR 104 Cb -0.14 -1.84 -0.07 0.00 0.01 0.00 0.00 72.50 70.46 1jwa s THR 104 CO 0.03 0.19 0.54 -2.16 -0.69 0.00 0.00 174.62 172.52 1jwa s PRO 105 N 1.33 3.92 -0.37 4.92 0.04 -1.26 -1.11 135.00 142.47 1jwa s PRO 105 Ca -0.02 0.42 0.01 0.00 0.04 0.00 0.00 61.00 61.44 1jwa s PRO 105 Cb -0.16 -2.87 0.14 0.00 0.04 0.00 0.00 34.50 31.65 1jwa s PRO 105 CO -0.08 0.45 0.23 0.08 0.04 0.00 0.00 177.00 177.71 1jwa s VAL 106 N -1.54 0.34 -0.99 -0.36 1.01 0.12 -4.89 120.40 114.09 1jwa s VAL 106 Ca 0.40 -1.91 -0.24 0.00 0.00 0.00 0.00 61.98 60.23 1jwa s VAL 106 Cb -0.14 -1.25 -0.06 0.00 0.00 0.00 0.00 36.38 34.92 1jwa s VAL 106 CO 0.19 -1.00 1.95 0.21 0.00 0.00 0.00 175.10 176.46 1jwa s ASN 107 N 0.88 5.07 0.15 3.32 3.84 -1.26 -3.28 114.94 123.66 1jwa s ASN 107 Ca 0.19 -0.97 -0.16 0.00 0.21 0.00 0.00 52.86 52.13 1jwa s ASN 107 Cb -0.21 -2.57 0.06 0.00 -0.55 0.00 0.00 41.25 37.98 1jwa s ASN 107 CO -0.01 -2.89 0.77 0.00 -2.79 0.00 0.00 177.10 172.19 1jwa n ALA 108 N 14.24 -2.00 -3.59 1.71 0.00 -1.12 -4.91 120.51 124.85 1jwa n ALA 108 Ca 0.42 -0.79 -0.28 0.00 0.00 0.00 0.00 53.44 52.79 1jwa n ALA 108 Cb 0.47 0.46 -0.11 0.00 0.00 0.00 0.00 19.45 20.27 1jwa n ALA 108 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1jwa s LEU 109 N 0.00 2.63 0.75 0.00 2.96 -1.26 -2.74 118.68 121.02 1jwa s LEU 109 Ca 0.17 -3.28 -0.12 0.00 -0.22 0.00 0.00 54.13 50.68 1jwa s LEU 109 Cb -0.02 -0.88 0.05 0.00 0.50 0.00 0.00 46.19 45.84 1jwa s LEU 109 CO 0.05 -0.15 1.11 -0.76 -1.32 0.00 0.00 176.35 175.27 1jwa s LEU 110 N -0.40 3.12 0.00 -0.68 1.43 -1.26 -5.05 118.68 115.84 1jwa s LEU 110 Ca 0.29 1.93 0.03 0.00 -1.03 0.00 0.00 54.13 55.35 1jwa s LEU 110 Cb -0.02 -4.54 0.03 0.00 0.03 0.00 0.00 46.19 41.70 1jwa s LEU 110 CO -0.17 -2.04 0.28 -0.90 0.23 0.00 0.00 176.35 173.74 1jwa n ASP 111 N -3.26 0.73 -0.10 2.29 5.68 -1.26 -4.83 116.55 115.80 1jwa n ASP 111 Ca 0.10 -1.53 -0.08 0.00 -0.50 0.00 0.00 54.79 52.78 1jwa n ASP 111 Cb 0.52 -0.15 -0.00 0.00 -1.14 0.00 0.00 41.12 40.36 1jwa n ASP 111 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1jwa h ASP 112 N 0.03 0.29 -0.65 -1.12 3.32 -1.99 -0.14 116.42 116.16 1jwa h ASP 112 Ca -0.09 0.01 0.08 0.00 0.02 0.00 0.00 57.03 57.04 1jwa h ASP 112 Cb 0.43 -0.05 -0.06 0.00 0.22 0.00 0.00 39.33 39.87 1jwa h ASP 112 CO 0.13 0.21 0.32 0.00 -1.72 0.00 0.00 179.24 178.18 1jwa h ALA 113 N 1.16 0.87 -0.02 3.45 0.00 -2.00 -2.03 119.26 120.69 1jwa h ALA 113 Ca 0.13 0.05 -0.23 0.00 0.00 0.00 0.00 54.91 54.86 1jwa h ALA 113 Cb 0.02 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.77 1jwa h ALA 113 CO -0.07 -0.06 -0.92 0.93 0.00 0.00 0.00 179.25 179.12 1jwa h GLU 114 N 0.57 0.48 0.20 0.00 5.08 -1.83 -2.72 114.58 116.36 1jwa h GLU 114 Ca 0.31 -0.49 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 1jwa h GLU 114 Cb 0.29 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1jwa h GLU 114 CO -0.24 1.14 -0.10 -0.07 -1.00 0.00 0.00 179.01 178.74 1jwa h LEU 115 N 0.28 -0.23 -0.82 1.33 3.38 -0.82 -2.41 115.31 116.02 1jwa h LEU 115 Ca -0.08 -0.03 0.20 0.00 0.09 0.00 0.00 57.88 58.07 1jwa h LEU 115 Cb 1.55 0.06 -0.13 0.00 0.09 0.00 0.00 40.66 42.23 1jwa h LEU 115 CO 0.17 -0.13 0.15 0.00 0.09 0.00 0.00 178.44 178.72 1jwa h ALA 116 N 0.48 1.07 -0.52 1.53 0.00 -1.40 0.24 119.26 120.67 1jwa h ALA 116 Ca -0.03 0.22 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 1jwa h ALA 116 Cb 0.24 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1jwa h ALA 116 CO 0.05 -0.43 0.03 0.00 0.00 0.00 0.00 179.25 178.89 1jwa h ALA 117 N 1.74 0.69 -0.19 0.00 0.00 -1.26 -2.87 119.26 117.36 1jwa h ALA 117 Ca 0.49 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1jwa h ALA 117 Cb 0.93 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1jwa h ALA 117 CO -0.64 0.48 0.08 1.25 0.00 0.00 0.00 179.25 180.42 1jwa h LEU 118 N 0.77 0.27 -0.17 0.00 5.85 -0.34 -3.18 115.31 118.50 1jwa h LEU 118 Ca 0.15 -0.16 0.03 0.00 0.84 0.00 0.00 57.88 58.74 1jwa h LEU 118 Cb 0.49 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 1jwa h LEU 118 CO 0.02 0.36 -0.04 0.40 -0.34 0.00 0.00 178.44 178.83 1jwa h ILE 119 N 0.16 0.83 0.00 4.05 2.04 -0.64 -0.65 117.51 123.29 1jwa h ILE 119 Ca 0.06 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.92 1jwa h ILE 119 Cb 0.17 0.83 0.00 0.00 -0.74 0.00 0.00 36.82 37.08 1jwa h ILE 119 CO -0.01 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.14 1jwa n ALA 120 N -2.35 1.09 1.19 1.87 0.00 -1.09 -0.41 120.51 120.81 1jwa n ALA 120 Ca -0.03 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.53 1jwa n ALA 120 Cb 0.11 -1.00 0.25 0.00 0.00 0.00 0.00 19.45 18.81 1jwa n ALA 120 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1jwa n GLU 121 N -1.41 1.59 -4.63 0.00 1.02 -0.25 -4.98 120.64 111.98 1jwa n GLU 121 Ca 0.00 -1.16 -0.29 0.00 -0.02 0.00 0.00 57.16 55.69 1jwa n GLU 121 Cb 0.00 -1.48 -0.09 0.00 -0.02 0.00 0.00 31.44 29.86 1jwa n GLU 121 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1jwa s HIS 122 N -2.21 1.95 -0.71 -0.32 3.76 0.45 -4.98 115.29 113.24 1jwa s HIS 122 Ca 0.28 -1.01 0.20 0.00 -0.15 0.00 0.00 55.06 54.37 1jwa s HIS 122 Cb 0.20 -1.46 -0.24 0.00 1.11 0.00 0.00 32.58 32.19 1jwa s HIS 122 CO 0.42 0.08 0.74 -0.25 -0.85 0.00 0.00 174.74 174.87 1jwa n ASP 123 N -1.16 0.80 -3.62 1.40 8.00 -0.40 -5.00 116.55 116.56 1jwa n ASP 123 Ca -0.11 -0.73 -0.10 0.00 0.71 0.00 0.00 54.79 54.56 1jwa n ASP 123 Cb 0.66 1.22 -0.07 0.00 -0.02 0.00 0.00 41.12 42.92 1jwa n ASP 123 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1jwa s LEU 124 N -3.28 -0.47 0.12 0.64 0.20 -1.25 -4.29 118.68 110.36 1jwa s LEU 124 Ca 0.04 0.82 0.11 0.00 0.69 0.00 0.00 54.13 55.79 1jwa s LEU 124 Cb 0.14 1.95 -0.04 0.00 -0.43 0.00 0.00 46.19 47.81 1jwa s LEU 124 CO 0.81 -0.21 -0.26 -0.69 -0.29 0.00 0.00 176.35 175.70 1jwa s VAL 125 N -0.06 2.21 -0.22 1.68 1.01 -0.63 -1.81 120.40 122.57 1jwa s VAL 125 Ca 0.01 -1.73 0.01 0.00 0.00 0.00 0.00 61.98 60.27 1jwa s VAL 125 Cb -0.04 -1.95 0.03 0.00 0.00 0.00 0.00 36.38 34.42 1jwa s VAL 125 CO -0.04 0.09 -0.13 -0.76 0.00 0.00 0.00 175.10 174.27 1jwa s LEU 126 N -2.01 2.85 -0.65 3.92 1.02 0.16 -1.67 118.68 122.30 1jwa s LEU 126 Ca 0.13 -0.91 -0.26 0.00 0.02 0.00 0.00 54.13 53.11 1jwa s LEU 126 Cb -0.10 -1.57 0.04 0.00 0.02 0.00 0.00 46.19 44.58 1jwa s LEU 126 CO 0.06 -0.09 1.16 -0.62 0.02 0.00 0.00 176.35 176.87 1jwa s ASP 127 N 1.26 6.28 -0.19 2.29 3.68 -0.73 -1.07 116.67 128.19 1jwa s ASP 127 Ca -0.00 -0.32 0.13 0.00 2.13 0.00 0.00 52.55 54.48 1jwa s ASP 127 Cb -0.16 -2.52 0.42 0.00 -1.45 0.00 0.00 42.92 39.21 1jwa s ASP 127 CO -0.08 -1.57 1.21 0.00 0.13 0.00 0.00 175.17 174.86 1jwa n THR 129 N -0.88 0.00 -0.62 0.00 -2.24 -1.13 -4.36 114.28 105.04 1jwa n THR 129 Ca 0.19 -1.27 0.02 0.00 -2.27 0.00 0.00 64.05 60.71 1jwa n THR 129 Cb 0.77 -0.98 0.02 0.00 -2.10 0.00 0.00 70.33 68.04 1jwa n THR 129 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1jwa n ASP 130 N -2.91 1.32 -3.76 3.42 5.68 -1.26 -4.96 116.55 114.07 1jwa n ASP 130 Ca 0.13 -1.89 -0.13 0.00 -0.50 0.00 0.00 54.79 52.41 1jwa n ASP 130 Cb 0.48 -0.08 -0.11 0.00 -1.14 0.00 0.00 41.12 40.26 1jwa n ASP 130 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1jwa s ASN 131 N -1.01 -0.31 0.65 -1.12 4.22 -1.26 -5.04 114.94 111.07 1jwa s ASN 131 Ca 0.05 0.60 0.38 0.00 -2.14 0.00 0.00 52.86 51.74 1jwa s ASN 131 Cb 0.04 0.58 2.06 0.00 1.28 0.00 0.00 41.25 45.21 1jwa s ASN 131 CO 0.00 -0.11 2.16 1.62 -2.04 0.00 0.00 177.10 178.73 1jwa h VAL 132 N 4.86 0.00 0.84 3.54 3.04 -1.97 -1.52 116.25 125.04 1jwa h VAL 132 Ca -0.28 0.00 -0.04 0.00 -1.01 0.00 0.00 66.70 65.37 1jwa h VAL 132 Cb 1.19 0.84 0.00 0.00 -2.01 0.00 0.00 31.29 31.31 1jwa h VAL 132 CO 0.33 0.00 -0.45 0.00 -1.01 0.00 0.00 177.57 176.44 1jwa h ALA 133 N 1.73 -1.20 -0.06 3.17 0.00 -1.99 -1.22 119.26 119.69 1jwa h ALA 133 Ca 0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1jwa h ALA 133 Cb 0.27 0.51 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 1jwa h ALA 133 CO 0.00 -1.18 -0.03 0.28 0.00 0.00 0.00 179.25 178.32 1jwa h VAL 134 N -1.18 1.33 -0.91 0.00 2.07 -1.75 -2.61 116.25 113.19 1jwa h VAL 134 Ca -0.11 -1.05 0.22 0.00 0.82 0.00 0.00 66.70 66.58 1jwa h VAL 134 Cb 0.93 1.90 -0.06 0.00 -1.52 0.00 0.00 31.29 32.54 1jwa h VAL 134 CO 0.16 0.29 0.61 0.03 0.02 0.00 0.00 177.57 178.68 1jwa h ARG 135 N -0.26 0.33 -0.14 1.57 3.08 -1.37 -0.67 114.38 116.92 1jwa h ARG 135 Ca 0.01 -0.02 -0.21 0.00 0.07 0.00 0.00 59.98 59.83 1jwa h ARG 135 Cb 0.48 -0.07 0.01 0.00 0.08 0.00 0.00 29.97 30.46 1jwa h ARG 135 CO 0.01 0.22 -0.73 -0.91 -1.07 0.00 0.00 179.97 177.49 1jwa h ASN 136 N 0.34 0.88 -0.18 7.04 2.35 -0.86 -1.90 115.58 123.24 1jwa h ASN 136 Ca 0.47 -0.63 0.03 0.00 -0.55 0.00 0.00 56.30 55.62 1jwa h ASN 136 Cb 1.29 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 39.37 1jwa h ASN 136 CO -0.16 1.38 0.01 1.56 -1.65 0.00 0.00 177.43 178.57 1jwa h GLN 137 N 0.45 0.07 0.21 0.81 4.20 -0.83 -0.31 115.11 119.71 1jwa h GLN 137 Ca -0.05 -0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.67 1jwa h GLN 137 Cb 1.36 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 29.10 1jwa h GLN 137 CO 0.15 0.05 -0.34 -0.07 -0.67 0.00 0.00 178.83 177.94 1jwa h LEU 138 N 0.07 -0.97 -1.56 1.46 3.38 -1.14 0.25 115.31 116.80 1jwa h LEU 138 Ca 0.09 0.10 0.11 0.00 0.09 0.00 0.00 57.88 58.27 1jwa h LEU 138 Cb 0.10 0.35 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 1jwa h LEU 138 CO -0.14 -0.45 0.45 -1.13 0.09 0.00 0.00 178.44 177.27 1jwa h ASN 139 N -0.62 0.44 0.49 -0.43 -0.73 -1.15 0.92 115.58 114.49 1jwa h ASN 139 Ca 0.01 0.01 -0.02 0.00 1.87 0.00 0.00 56.30 58.17 1jwa h ASN 139 Cb 0.62 -0.08 0.00 0.00 0.27 0.00 0.00 38.32 39.13 1jwa h ASN 139 CO -0.15 0.25 -0.24 0.00 -0.37 0.00 0.00 177.43 176.93 1jwa h ALA 140 N 1.66 -0.81 -0.69 1.57 0.00 -0.14 -2.49 119.26 118.36 1jwa h ALA 140 Ca 0.32 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 55.17 1jwa h ALA 140 Cb 0.59 0.26 -0.07 0.00 0.00 0.00 0.00 17.79 18.57 1jwa h ALA 140 CO -0.10 -0.76 0.35 0.78 0.00 0.00 0.00 179.25 179.51 1jwa h GLY 141 N -0.94 1.02 0.90 0.00 0.00 -0.06 -1.52 103.07 102.47 1jwa h GLY 141 Ca -0.07 -0.22 0.03 0.00 0.00 0.00 0.00 47.33 47.07 1jwa h GLY 141 CO 0.11 0.07 0.54 0.00 0.00 0.00 0.00 176.54 177.27 1jwa h PHE 143 N 1.06 0.97 -0.10 0.00 3.57 -0.90 0.46 116.94 122.00 1jwa h PHE 143 Ca 0.33 -0.23 -0.00 0.00 3.53 0.00 0.00 57.97 61.60 1jwa h PHE 143 Cb -0.02 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 38.48 1jwa h PHE 143 CO -0.02 0.99 0.06 0.00 -2.23 0.00 0.00 178.31 177.11 1jwa h ALA 144 N 0.84 0.13 0.00 2.41 0.00 -0.98 -2.78 119.26 118.88 1jwa h ALA 144 Ca 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1jwa h ALA 144 Cb 0.70 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1jwa h ALA 144 CO 0.05 -0.34 -0.17 0.00 0.00 0.00 0.00 179.25 178.79 1jwa n ALA 145 N -2.15 2.49 -2.89 0.00 0.00 -0.53 -4.94 120.51 112.49 1jwa n ALA 145 Ca -0.05 -0.10 -0.12 0.00 0.00 0.00 0.00 53.44 53.17 1jwa n ALA 145 Cb 0.06 -1.38 0.06 0.00 0.00 0.00 0.00 19.45 18.18 1jwa n ALA 145 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1jwa n LYS 146 N -2.12 -3.12 -4.44 0.00 4.01 0.14 -5.04 118.16 107.59 1jwa n LYS 146 Ca 0.05 0.62 -0.33 0.00 -0.51 0.00 0.00 58.31 58.14 1jwa n LYS 146 Cb 0.42 -4.78 -0.15 0.00 -0.51 0.00 0.00 35.03 30.01 1jwa n LYS 146 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 1jwa s VAL 147 N -3.27 2.90 0.32 -0.18 1.01 0.28 -5.01 120.40 116.44 1jwa s VAL 147 Ca 0.18 -0.69 -0.27 0.00 0.00 0.00 0.00 61.98 61.20 1jwa s VAL 147 Cb -0.02 -2.24 -0.13 0.00 0.00 0.00 0.00 36.38 33.98 1jwa s VAL 147 CO 0.53 0.50 0.95 -2.65 0.00 0.00 0.00 175.10 174.43 1jwa n PRO 148 N 4.08 1.23 -4.07 2.72 -0.02 -1.26 -4.64 135.00 133.04 1jwa n PRO 148 Ca -0.19 0.43 -0.30 0.00 -2.02 0.00 0.00 63.50 61.42 1jwa n PRO 148 Cb 0.52 -1.81 -0.16 0.00 -0.02 0.00 0.00 33.50 32.02 1jwa n PRO 148 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1jwa s LEU 149 N 0.51 1.75 -0.48 2.45 2.96 -0.59 -1.60 118.68 123.67 1jwa s LEU 149 Ca 0.60 -0.50 -0.11 0.00 -0.22 0.00 0.00 54.13 53.90 1jwa s LEU 149 Cb -0.68 -1.21 0.11 0.00 0.50 0.00 0.00 46.19 44.91 1jwa s LEU 149 CO 0.59 -0.04 0.37 -0.69 -1.32 0.00 0.00 176.35 175.26 1jwa s VAL 150 N 1.42 4.47 -0.11 1.68 1.01 -0.67 -0.96 120.40 127.25 1jwa s VAL 150 Ca 0.04 -1.64 -0.03 0.00 0.00 0.00 0.00 61.98 60.35 1jwa s VAL 150 Cb -0.13 -3.89 -0.03 0.00 0.00 0.00 0.00 36.38 32.33 1jwa s VAL 150 CO -0.10 -0.75 0.03 -0.55 0.00 0.00 0.00 175.10 173.72 1jwa s SER 151 N 2.80 5.43 0.09 3.32 0.15 -0.27 -1.77 113.70 123.44 1jwa s SER 151 Ca 0.05 0.17 -0.05 0.00 0.70 0.00 0.00 55.95 56.82 1jwa s SER 151 Cb -0.27 -1.64 -0.02 0.00 -1.71 0.00 0.00 66.02 62.39 1jwa s SER 151 CO 0.01 0.35 0.11 -0.83 1.20 0.00 0.00 173.24 174.07 1jwa s GLY 152 N -0.70 0.34 0.11 9.45 0.00 -1.14 -0.70 107.32 114.68 1jwa s GLY 152 Ca 0.11 -0.93 -0.18 0.00 0.00 0.00 0.00 44.72 43.72 1jwa s GLY 152 CO 0.02 -1.04 0.45 0.00 0.00 0.00 0.00 173.10 172.53 1jwa s ALA 153 N -3.91 -1.11 -0.15 3.20 0.00 -0.65 -4.73 121.76 114.40 1jwa s ALA 153 Ca 0.08 0.19 -0.28 0.00 0.00 0.00 0.00 51.96 51.96 1jwa s ALA 153 Cb 0.06 0.62 0.07 0.00 0.00 0.00 0.00 23.12 23.87 1jwa s ALA 153 CO -0.09 -0.61 0.69 0.00 0.00 0.00 0.00 175.76 175.75 1jwa s ALA 154 N -3.38 -1.74 -0.11 0.00 0.00 -1.26 -1.33 121.76 113.94 1jwa s ALA 154 Ca 0.00 1.62 -0.30 0.00 0.00 0.00 0.00 51.96 53.28 1jwa s ALA 154 Cb 0.01 -0.55 0.10 0.00 0.00 0.00 0.00 23.12 22.68 1jwa s ALA 154 CO -0.09 -0.35 0.84 -1.50 0.00 0.00 0.00 175.76 174.66 1jwa s ILE 155 N -0.45 0.00 0.00 0.00 2.07 -0.68 -5.00 121.20 117.14 1jwa s ILE 155 Ca -0.06 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.18 1jwa s ILE 155 Cb -0.02 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.57 1jwa s ILE 155 CO 0.06 0.00 0.00 0.54 -1.91 0.00 0.00 174.94 173.63 1jwa n ARG 156 N 0.85 0.00 -1.94 3.50 1.74 -0.21 -0.97 116.66 119.63 1jwa n ARG 156 Ca -0.14 0.00 -0.00 0.00 -0.77 0.00 0.00 57.85 56.93 1jwa n ARG 156 Cb 0.57 0.00 0.05 0.00 -1.02 0.00 0.00 32.46 32.07 1jwa n ARG 156 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 1jwa n MET 157 N 0.00 1.24 -3.85 5.56 2.81 -1.26 -2.50 117.12 119.13 1jwa n MET 157 Ca 0.00 -2.96 -0.14 0.00 -1.81 0.00 0.00 57.70 52.79 1jwa n MET 157 Cb 0.00 -1.05 -0.15 0.00 -0.71 0.00 0.00 33.22 31.31 1jwa n MET 157 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 1jwa s GLU 158 N -2.20 0.03 0.24 0.03 2.12 -0.14 -1.81 118.70 116.96 1jwa s GLU 158 Ca 0.34 0.07 0.04 0.00 0.36 0.00 0.00 54.97 55.78 1jwa s GLU 158 Cb 0.36 -0.15 -0.05 0.00 0.26 0.00 0.00 34.13 34.55 1jwa s GLU 158 CO -0.09 -0.07 -0.01 0.20 -0.54 0.00 0.00 175.26 174.75 1jwa s GLY 159 N 0.50 1.59 0.01 -1.50 0.00 -0.79 -1.69 107.32 105.43 1jwa s GLY 159 Ca -0.04 -1.78 -0.16 0.00 0.00 0.00 0.00 44.72 42.73 1jwa s GLY 159 CO -0.01 -1.69 0.35 1.20 0.00 0.00 0.00 173.10 172.94 1jwa s GLN 160 N -3.84 0.76 -0.10 2.90 -0.21 -0.44 -1.23 119.66 117.50 1jwa s GLN 160 Ca 0.28 -0.26 -0.08 0.00 0.02 0.00 0.00 55.36 55.32 1jwa s GLN 160 Cb 0.05 0.34 0.03 0.00 1.00 0.00 0.00 33.01 34.43 1jwa s GLN 160 CO 0.09 -0.23 0.26 -1.50 -2.12 0.00 0.00 175.29 171.79 1jwa s ILE 161 N -1.77 -0.01 -0.03 1.08 -1.16 -0.86 -1.64 121.20 116.80 1jwa s ILE 161 Ca -0.10 0.04 -0.11 0.00 -0.51 0.00 0.00 60.65 59.96 1jwa s ILE 161 Cb -0.03 -0.38 0.02 0.00 0.61 0.00 0.00 42.46 42.68 1jwa s ILE 161 CO 0.02 0.01 0.26 -0.89 -2.81 0.00 0.00 174.94 171.53 1jwa s THR 162 N 0.43 0.05 -0.03 4.00 2.01 0.13 -2.20 115.64 120.03 1jwa s THR 162 Ca -0.02 -0.40 0.05 0.00 0.31 0.00 0.00 61.69 61.62 1jwa s THR 162 Cb -0.04 -0.51 -0.03 0.00 0.01 0.00 0.00 72.50 71.94 1jwa s THR 162 CO -0.02 -0.22 -0.16 -0.69 -0.69 0.00 0.00 174.62 172.84 1jwa s VAL 163 N -0.93 2.95 -0.29 3.82 1.01 -1.19 -1.12 120.40 124.66 1jwa s VAL 163 Ca -0.10 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.04 1jwa s VAL 163 Cb -0.05 -2.17 0.09 0.00 0.00 0.00 0.00 36.38 34.25 1jwa s VAL 163 CO 0.02 0.53 0.05 -0.36 0.00 0.00 0.00 175.10 175.34 1jwa s PHE 164 N -0.77 2.27 -0.27 5.22 0.40 -0.14 -3.84 117.98 120.85 1jwa s PHE 164 Ca 0.12 -1.96 0.21 0.00 -0.60 0.00 0.00 56.93 54.71 1jwa s PHE 164 Cb -0.11 -1.90 0.08 0.00 0.51 0.00 0.00 43.02 41.60 1jwa s PHE 164 CO 0.02 -0.85 1.20 1.79 0.70 0.00 0.00 175.22 178.08 1jwa h THR 165 N 6.56 0.13 -3.96 0.64 1.35 -1.94 -1.56 112.91 114.13 1jwa h THR 165 Ca -0.13 -1.21 0.00 0.00 -0.55 0.00 0.00 66.41 64.52 1jwa h THR 165 Cb 1.04 1.77 -0.06 0.00 -1.73 0.00 0.00 68.15 69.16 1jwa h THR 165 CO 0.46 0.07 -0.80 -1.22 -0.25 0.00 0.00 175.52 173.78 1jwa n TYR 166 N -2.86 -2.34 -2.33 4.73 0.53 -1.26 -4.75 117.16 108.88 1jwa n TYR 166 Ca 0.00 1.37 0.00 0.00 -1.02 0.00 0.00 57.90 58.25 1jwa n TYR 166 Cb 0.59 -2.77 0.00 0.00 -1.03 0.00 0.00 39.34 36.13 1jwa n TYR 166 CO 0.00 0.00 0.00 -1.91 -1.02 0.00 0.00 176.86 173.93 1jwa n GLU 189 N 0.89 0.00 -4.52 -0.72 2.13 -1.26 -5.16 120.64 112.00 1jwa n GLU 189 Ca -0.20 0.00 -0.34 0.00 0.66 0.00 0.00 57.16 57.28 1jwa n GLU 189 Cb 0.31 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 31.92 1jwa n GLU 189 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1jwa s ALA 190 N -1.01 3.10 1.00 4.31 0.00 -1.26 -5.12 121.76 122.79 1jwa s ALA 190 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.09 1jwa s ALA 190 Cb 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 23.12 21.80 1jwa s ALA 190 CO 0.00 0.58 0.00 0.41 0.00 0.00 0.00 175.76 176.75 1jwa n GLY 191 N 2.13 -2.42 3.26 0.00 0.00 -1.26 -4.73 105.19 102.17 1jwa n GLY 191 Ca -0.18 -1.39 0.03 0.00 0.00 0.00 0.00 46.02 44.48 1jwa n GLY 191 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jwa s VAL 192 N -0.40 -0.29 0.12 1.61 0.11 -1.26 -1.05 120.40 119.25 1jwa s VAL 192 Ca 0.00 0.00 -0.31 0.00 -2.93 0.00 0.00 61.98 58.74 1jwa s VAL 192 Cb 0.00 -1.00 -0.09 0.00 -1.53 0.00 0.00 36.38 33.76 1jwa s VAL 192 CO 0.00 0.00 1.59 -0.32 -3.33 0.00 0.00 175.10 173.04 1jwa s MET 193 N 2.43 4.22 0.15 1.54 -2.45 -1.04 -4.93 119.30 119.22 1jwa s MET 193 Ca -0.01 2.33 -0.27 0.00 -1.25 0.00 0.00 55.69 56.48 1jwa s MET 193 Cb -0.05 -3.33 -0.01 0.00 1.25 0.00 0.00 34.83 32.69 1jwa s MET 193 CO -0.15 -0.64 1.57 0.00 1.05 0.00 0.00 175.02 176.85 1jwa h ALA 194 N 7.38 -0.46 0.00 4.11 0.00 -1.94 -2.04 119.26 126.32 1jwa h ALA 194 Ca -0.43 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1jwa h ALA 194 Cb 1.20 0.90 0.00 0.00 0.00 0.00 0.00 17.79 19.90 1jwa h ALA 194 CO 0.92 -0.88 0.06 -1.00 0.00 0.00 0.00 179.25 178.35 1jwa h PRO 195 N -0.34 0.00 -0.19 0.00 0.13 -1.92 -2.74 132.00 126.95 1jwa h PRO 195 Ca 0.13 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.14 1jwa h PRO 195 Cb 0.59 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.71 1jwa h PRO 195 CO -0.57 0.00 -0.41 1.25 -0.23 0.00 0.00 178.00 178.04 1jwa h LEU 196 N 0.00 0.46 -1.23 1.56 5.85 -1.75 -1.87 115.31 118.32 1jwa h LEU 196 Ca 0.00 -0.20 -0.05 0.00 0.84 0.00 0.00 57.88 58.47 1jwa h LEU 196 Cb 0.11 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 1jwa h LEU 196 CO 0.00 0.82 -0.25 -0.29 -0.34 0.00 0.00 178.44 178.38 1jwa h ILE 197 N 0.36 0.66 0.09 4.05 6.09 -1.63 -2.62 117.51 124.50 1jwa h ILE 197 Ca 0.03 -1.11 -0.29 0.00 -1.37 0.00 0.00 64.86 62.12 1jwa h ILE 197 Cb 0.87 1.72 0.03 0.00 0.47 0.00 0.00 36.82 39.91 1jwa h ILE 197 CO 0.07 0.24 -1.20 1.23 -3.07 0.00 0.00 178.15 175.43 1jwa h GLY 198 N 1.80 0.71 0.97 8.18 0.00 -1.45 0.55 103.07 113.83 1jwa h GLY 198 Ca -0.00 -1.42 -0.03 0.00 0.00 0.00 0.00 47.33 45.88 1jwa h GLY 198 CO 0.03 1.25 -0.29 -2.08 0.00 0.00 0.00 176.54 175.45 1jwa h VAL 199 N 0.30 0.39 -0.40 4.60 2.07 -1.34 -1.00 116.25 120.86 1jwa h VAL 199 Ca -0.17 -0.06 -0.09 0.00 0.82 0.00 0.00 66.70 67.20 1jwa h VAL 199 Cb 1.86 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 32.03 1jwa h VAL 199 CO 0.23 0.01 -0.08 0.40 0.02 0.00 0.00 177.57 178.15 1jwa h ILE 200 N -0.87 1.27 -0.25 4.57 1.08 -1.55 -2.35 117.51 119.42 1jwa h ILE 200 Ca -0.08 -1.17 0.01 0.00 -0.39 0.00 0.00 64.86 63.23 1jwa h ILE 200 Cb 0.65 1.20 -0.02 0.00 -3.07 0.00 0.00 36.82 35.58 1jwa h ILE 200 CO 0.14 0.39 0.15 1.23 -0.69 0.00 0.00 178.15 179.37 1jwa h GLY 201 N 0.58 0.35 2.00 5.37 0.00 -0.85 -1.76 103.07 108.77 1jwa h GLY 201 Ca 0.10 -0.12 -0.03 0.00 0.00 0.00 0.00 47.33 47.28 1jwa h GLY 201 CO 0.04 0.11 -0.14 1.76 0.00 0.00 0.00 176.54 178.30 1jwa h SER 202 N 0.32 0.00 -0.13 0.19 0.02 -1.15 -2.32 113.55 110.47 1jwa h SER 202 Ca 0.10 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 1jwa h SER 202 Cb -0.02 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 1jwa h SER 202 CO -0.04 0.14 0.03 -0.07 -1.14 0.00 0.00 176.83 175.76 1jwa h LEU 203 N 0.00 0.20 0.41 5.07 3.38 -0.78 -2.58 115.31 121.02 1jwa h LEU 203 Ca -0.00 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 1jwa h LEU 203 Cb 0.43 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 1jwa h LEU 203 CO 0.02 0.38 -0.48 1.56 0.09 0.00 0.00 178.44 180.01 1jwa h GLN 204 N 0.01 -0.88 -0.76 1.13 4.20 -0.93 -1.43 115.11 116.44 1jwa h GLN 204 Ca 0.04 0.06 0.22 0.00 0.06 0.00 0.00 58.65 59.03 1jwa h GLN 204 Cb 0.26 0.20 -0.03 0.00 0.30 0.00 0.00 27.48 28.21 1jwa h GLN 204 CO 0.00 -0.59 0.56 0.00 -0.67 0.00 0.00 178.83 178.13 1jwa h ALA 205 N -0.69 2.71 0.38 3.87 0.00 -1.42 -0.12 119.26 123.99 1jwa h ALA 205 Ca -0.04 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1jwa h ALA 205 Cb 0.82 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1jwa h ALA 205 CO -0.10 -0.95 -0.18 1.98 0.00 0.00 0.00 179.25 179.99 1jwa h MET 206 N 0.00 -0.50 -0.67 0.00 1.85 -0.91 -3.05 114.93 111.67 1jwa h MET 206 Ca 0.36 0.03 0.10 0.00 -0.61 0.00 0.00 59.70 59.59 1jwa h MET 206 Cb 1.48 0.11 -0.04 0.00 0.43 0.00 0.00 31.60 33.58 1jwa h MET 206 CO -0.00 -0.20 0.44 0.93 -0.40 0.00 0.00 176.91 177.68 1jwa h GLU 207 N -1.00 0.47 -0.29 0.39 4.39 -0.19 -0.83 114.58 117.52 1jwa h GLU 207 Ca -0.05 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.61 1jwa h GLU 207 Cb 0.52 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 1jwa h GLU 207 CO 0.09 0.31 0.14 0.00 -1.16 0.00 0.00 179.01 178.39 1jwa h ALA 208 N 1.67 0.37 -0.63 3.43 0.00 -1.10 -1.82 119.26 121.19 1jwa h ALA 208 Ca 0.31 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 1jwa h ALA 208 Cb 0.57 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1jwa h ALA 208 CO -0.10 -0.06 0.17 0.82 0.00 0.00 0.00 179.25 180.08 1jwa h ILE 209 N 0.34 1.24 -0.14 0.00 2.04 -1.20 -0.97 117.51 118.81 1jwa h ILE 209 Ca 0.10 -0.86 0.03 0.00 1.00 0.00 0.00 64.86 65.13 1jwa h ILE 209 Cb 0.12 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 36.74 1jwa h ILE 209 CO -0.01 0.33 -0.03 0.11 0.00 0.00 0.00 178.15 178.55 1jwa h LYS 210 N 0.93 0.01 0.21 2.37 1.57 -0.84 -2.14 116.57 118.68 1jwa h LYS 210 Ca 0.20 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.97 1jwa h LYS 210 Cb 0.30 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1jwa h LYS 210 CO -0.00 0.01 -0.10 0.52 -0.57 0.00 0.00 179.45 179.30 1jwa h MET 211 N 0.01 -0.27 -0.85 3.15 2.86 -0.95 -1.67 114.93 117.21 1jwa h MET 211 Ca 0.07 0.02 0.18 0.00 -2.06 0.00 0.00 59.70 57.90 1jwa h MET 211 Cb 0.10 0.06 -0.06 0.00 0.06 0.00 0.00 31.60 31.76 1jwa h MET 211 CO -0.14 -0.04 0.56 -0.07 1.06 0.00 0.00 176.91 178.29 1jwa h LEU 212 N -0.46 0.44 -1.81 1.22 3.38 -1.07 -2.39 115.31 114.61 1jwa h LEU 212 Ca -0.03 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1jwa h LEU 212 Cb 0.35 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1jwa h LEU 212 CO 0.05 0.20 0.00 0.00 0.09 0.00 0.00 178.44 178.78 1jwa n ALA 213 N -2.50 2.40 -2.62 1.53 0.00 -0.82 -4.79 120.51 113.71 1jwa n ALA 213 Ca 0.17 -0.73 -0.18 0.00 0.00 0.00 0.00 53.44 52.70 1jwa n ALA 213 Cb 0.61 -0.37 0.01 0.00 0.00 0.00 0.00 19.45 19.69 1jwa n ALA 213 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jwa n GLY 214 N 0.56 -0.33 3.83 0.00 0.00 -0.70 -4.92 105.19 103.64 1jwa n GLY 214 Ca 0.08 -0.09 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 1jwa n GLY 214 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1jwa s TYR 215 N -2.98 3.56 0.12 1.61 5.04 -0.79 -4.98 117.35 118.92 1jwa s TYR 215 Ca 0.13 0.51 0.00 0.00 -2.44 0.00 0.00 57.07 55.27 1jwa s TYR 215 Cb -0.06 -2.03 0.00 0.00 0.35 0.00 0.00 41.96 40.22 1jwa s TYR 215 CO 0.16 0.60 0.00 0.41 -1.34 0.00 0.00 175.55 175.39 1jwa n GLY 216 N 2.41 -1.53 3.35 8.97 0.00 -1.26 -4.56 105.19 112.56 1jwa n GLY 216 Ca -0.18 -1.15 -0.35 0.00 0.00 0.00 0.00 46.02 44.34 1jwa n GLY 216 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1jwa s LYS 217 N -0.86 3.43 0.84 1.61 2.20 -1.26 -4.99 119.74 120.70 1jwa s LYS 217 Ca 0.00 -0.61 -0.10 0.00 -0.36 0.00 0.00 55.97 54.90 1jwa s LYS 217 Cb 0.00 -2.97 0.10 0.00 -1.51 0.00 0.00 37.83 33.45 1jwa s LYS 217 CO 0.00 -0.09 1.12 -2.14 -0.36 0.00 0.00 175.35 173.87 1jwa s PRO 218 N 1.21 1.68 -0.48 4.03 0.02 -1.26 -4.95 135.00 135.25 1jwa s PRO 218 Ca 0.03 1.34 -0.01 0.00 0.02 0.00 0.00 61.00 62.38 1jwa s PRO 218 Cb -0.14 -1.82 0.37 0.00 0.02 0.00 0.00 34.50 32.93 1jwa s PRO 218 CO -0.01 -2.10 1.97 0.00 -0.33 0.00 0.00 177.00 176.53 1jwa n ALA 219 N -3.85 5.62 -2.00 -1.55 0.00 -1.26 -4.95 120.51 112.51 1jwa n ALA 219 Ca 0.10 -2.56 -0.31 0.00 0.00 0.00 0.00 53.44 50.67 1jwa n ALA 219 Cb 0.53 -1.55 -0.03 0.00 0.00 0.00 0.00 19.45 18.40 1jwa n ALA 219 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1jwa s SER 220 N -0.87 6.55 0.00 0.00 1.04 -1.26 -3.14 113.70 116.02 1jwa s SER 220 Ca 0.48 1.35 0.00 0.00 0.48 0.00 0.00 55.95 58.26 1jwa s SER 220 Cb 0.38 -2.42 0.00 0.00 0.10 0.00 0.00 66.02 64.08 1jwa s SER 220 CO 0.01 -0.52 0.00 0.61 0.98 0.00 0.00 173.24 174.32 1jwa n GLY 221 N -1.54 0.70 3.72 7.32 0.00 -1.25 -4.95 105.19 109.18 1jwa n GLY 221 Ca 0.05 -0.25 -0.01 0.00 0.00 0.00 0.00 46.02 45.80 1jwa n GLY 221 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jwa s LYS 222 N -0.72 0.89 -0.12 1.61 -2.85 -1.25 -2.71 119.74 114.58 1jwa s LYS 222 Ca 0.00 -0.50 0.02 0.00 -1.00 0.00 0.00 55.97 54.49 1jwa s LYS 222 Cb 0.00 0.30 0.02 0.00 -2.06 0.00 0.00 37.83 36.08 1jwa s LYS 222 CO 0.00 -0.41 -0.16 0.42 0.10 0.00 0.00 175.35 175.30 1jwa s ILE 223 N -2.85 1.61 -0.28 3.79 1.09 -0.94 -4.35 121.20 119.26 1jwa s ILE 223 Ca 0.14 -0.70 -0.13 0.00 -1.10 0.00 0.00 60.65 58.86 1jwa s ILE 223 Cb 0.01 -1.46 -0.04 0.00 -1.06 0.00 0.00 42.46 39.90 1jwa s ILE 223 CO 0.00 0.46 0.29 -0.69 -0.10 0.00 0.00 174.94 174.91 1jwa s VAL 224 N 1.05 5.23 -0.01 2.92 1.01 -0.94 -2.33 120.40 127.34 1jwa s VAL 224 Ca -0.04 0.35 0.01 0.00 0.00 0.00 0.00 61.98 62.29 1jwa s VAL 224 Cb -0.15 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 1jwa s VAL 224 CO -0.03 0.17 0.01 -0.32 0.00 0.00 0.00 175.10 174.93 1jwa s MET 225 N 1.93 2.85 -0.12 2.72 1.75 -0.52 -2.03 119.30 125.88 1jwa s MET 225 Ca 0.11 -0.56 0.01 0.00 -1.25 0.00 0.00 55.69 53.99 1jwa s MET 225 Cb -0.16 -2.72 0.02 0.00 2.84 0.00 0.00 34.83 34.82 1jwa s MET 225 CO 0.11 0.64 -0.12 -0.47 -0.65 0.00 0.00 175.02 174.52 1jwa s TYR 226 N -1.07 1.86 -0.48 4.11 5.04 -0.36 -1.41 117.35 125.03 1jwa s TYR 226 Ca 0.19 -0.94 -0.10 0.00 -2.44 0.00 0.00 57.07 53.78 1jwa s TYR 226 Cb -0.12 -1.40 0.12 0.00 0.35 0.00 0.00 41.96 40.92 1jwa s TYR 226 CO 0.10 -0.54 0.37 0.34 -1.34 0.00 0.00 175.55 174.48 1jwa s ASP 227 N 1.34 5.78 0.14 4.32 -1.08 -0.36 -1.88 116.67 124.92 1jwa s ASP 227 Ca 0.00 -1.90 -0.15 0.00 -0.52 0.00 0.00 52.55 49.97 1jwa s ASP 227 Cb -0.14 -2.04 0.00 0.00 -1.46 0.00 0.00 42.92 39.29 1jwa s ASP 227 CO -0.06 -0.72 1.69 0.00 0.52 0.00 0.00 175.17 176.60 1jwa h ALA 228 N 8.51 0.55 -1.01 3.66 0.00 -1.66 0.85 119.26 130.16 1jwa h ALA 228 Ca -0.22 -0.14 0.24 0.00 0.00 0.00 0.00 54.91 54.79 1jwa h ALA 228 Cb 1.08 -0.16 -0.11 0.00 0.00 0.00 0.00 17.79 18.59 1jwa h ALA 228 CO 0.89 0.15 0.62 1.98 0.00 0.00 0.00 179.25 182.89 1jwa h MET 229 N 0.54 0.54 -0.00 0.00 -1.53 -1.94 -2.61 114.93 109.92 1jwa h MET 229 Ca 0.14 -0.03 0.00 0.00 -3.44 0.00 0.00 59.70 56.37 1jwa h MET 229 Cb 0.19 -0.12 0.00 0.00 -0.55 0.00 0.00 31.60 31.11 1jwa h MET 229 CO -0.01 0.35 -0.29 0.25 0.14 0.00 0.00 176.91 177.35 1jwa n THR 230 N -4.77 0.00 -2.88 -0.77 -2.24 -1.05 -5.04 114.28 97.53 1jwa n THR 230 Ca 0.26 -0.35 -0.12 0.00 -2.27 0.00 0.00 64.05 61.56 1jwa n THR 230 Cb 0.76 1.01 0.06 0.00 -2.10 0.00 0.00 70.33 70.05 1jwa n THR 230 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jwa s GLN 232 N -4.10 0.79 -0.06 0.00 -0.21 -0.99 -4.97 119.66 110.12 1jwa s GLN 232 Ca 0.36 -0.96 0.05 0.00 0.02 0.00 0.00 55.36 54.84 1jwa s GLN 232 Cb -0.05 -0.74 -0.01 0.00 1.00 0.00 0.00 33.01 33.22 1jwa s GLN 232 CO 0.58 0.16 -0.22 -0.06 -2.12 0.00 0.00 175.29 173.63 1jwa s PHE 233 N -1.41 2.18 0.12 0.91 0.40 -1.26 -1.23 117.98 117.70 1jwa s PHE 233 Ca -0.02 -0.68 0.09 0.00 -0.60 0.00 0.00 56.93 55.72 1jwa s PHE 233 Cb -0.09 -1.45 -0.04 0.00 0.51 0.00 0.00 43.02 41.95 1jwa s PHE 233 CO 0.02 -0.23 -0.23 1.03 0.70 0.00 0.00 175.22 176.52 1jwa s ARG 234 N -0.02 1.25 -0.14 0.44 1.81 -0.50 -4.96 118.95 116.83 1jwa s ARG 234 Ca -0.06 -1.27 0.01 0.00 -1.72 0.00 0.00 55.73 52.70 1jwa s ARG 234 Cb -0.14 -1.57 -0.00 0.00 -0.45 0.00 0.00 34.95 32.79 1jwa s ARG 234 CO 0.04 0.36 -0.18 -1.21 -0.68 0.00 0.00 175.30 173.63 1jwa s GLU 235 N -2.09 3.16 -0.10 3.54 2.02 -1.26 -1.44 118.70 122.53 1jwa s GLU 235 Ca 0.11 -0.79 -0.00 0.00 0.02 0.00 0.00 54.97 54.30 1jwa s GLU 235 Cb -0.09 -2.52 0.02 0.00 0.10 0.00 0.00 34.13 31.64 1jwa s GLU 235 CO 0.05 0.07 -0.08 -1.64 0.02 0.00 0.00 175.26 173.68 1jwa s MET 236 N 0.66 1.48 0.30 1.61 -1.94 -0.98 -4.98 119.30 115.45 1jwa s MET 236 Ca -0.09 -0.25 -0.30 0.00 -1.71 0.00 0.00 55.69 53.34 1jwa s MET 236 Cb -0.16 -1.52 -0.12 0.00 2.01 0.00 0.00 34.83 35.05 1jwa s MET 236 CO 0.02 -0.23 1.53 1.63 -0.01 0.00 0.00 175.02 177.96 1jwa n LYS 237 N 4.81 2.56 -3.66 2.03 5.02 -1.26 -2.21 118.16 125.45 1jwa n LYS 237 Ca -0.14 0.91 -0.30 0.00 -2.02 0.00 0.00 58.31 56.77 1jwa n LYS 237 Cb 0.50 -2.65 -0.04 0.00 -0.02 0.00 0.00 35.03 32.82 1jwa n LYS 237 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1jwa s LEU 238 N -0.72 4.24 0.00 -0.35 2.96 -1.10 -4.95 118.68 118.76 1jwa s LEU 238 Ca 0.62 0.51 0.02 0.00 -0.22 0.00 0.00 54.13 55.07 1jwa s LEU 238 Cb -0.52 -3.26 -0.01 0.00 0.50 0.00 0.00 46.19 42.90 1jwa s LEU 238 CO 0.52 -0.00 -0.07 -0.04 -1.32 0.00 0.00 176.35 175.44 1jwa s MET 239 N -2.99 0.55 0.00 1.98 -1.94 -1.26 -4.95 119.30 110.69 1jwa s MET 239 Ca 0.40 -0.32 0.28 0.00 -1.71 0.00 0.00 55.69 54.33 1jwa s MET 239 Cb -0.12 -0.51 1.01 0.00 2.01 0.00 0.00 34.83 37.23 1jwa s MET 239 CO 0.27 0.13 1.72 -2.13 -0.01 0.00 0.00 175.02 175.01